Information card for entry 7237340

Structure parameters

• Formula: C34 H40 N2 O2 S4
• Calculated formula: C34 H40 N2 O2 S4
• Title of publication: Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains
• Authors of publication: Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 34
• Pages of publication: 9140
• a: 5.7223 ± 0.0016 Å
• b: 10.466 ± 0.003 Å
• c: 15.047 ± 0.004 Å
• α: 73.211 ± 0.007°
• β: 84.94 ± 0.007°
• γ: 89.137 ± 0.007°
• Cell volume: 859.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2114
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.3072
• Weighted residual factors for all reflections included in the refinement: 0.354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No